[phenixbb] Changing the resolution cutoff for water picking

Sam Stampfer Samuel.Stampfer at tufts.edu
Thu Sep 10 08:58:30 PDT 2009


I'm refining a 2.88 resolution structure and would like to pick waters.  I
assume the default low_resolution is set to 2.8 Angstroms and so my lower
resolution map is not yielding any waters.  How do I change the resolution
cutoff for water picking to be 3.0 Angstroms?  I tried adding
"refinement.ordered_solvent.low_resolution=3.0" to my command line arguments
and phenix is reading this, but the refinement crashes about 15 seconds in
with the message:

================== Extract refinement strategy and selections

Sorry: Selection string 'water' results in empty selection (selects no

Thanks for your help!

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